2-chloro-N-[4-(2-phenyldiazen-1-yl)phenyl]acetamide

• ChemBase ID: 229308
• Molecular Formular: C14H12ClN3O
• Molecular Mass: 273.71758
• Monoisotopic Mass: 273.0668897
• SMILES: N(=N\c1ccccc1)/c1ccc(NC(=O)CCl)cc1
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C14H12ClN3O/c15-10-14(19)16-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)
• InChIKey: GZRJHDPHDCWZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(2-phenyldiazen-1-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(2-phenyldiazen-1-yl)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(2-phenyldiazen-1-yl)phenyl]acetamide

Database IDs

• PubChem SID: 164285218
• PubChem CID: 310168

CALCULATED PROPERTIES

• Acid pKa: 13.240106
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.15419
• LogD (pH = 7.4): 4.154193
• Log P: 4.154194
• Molar Refractivity: 79.9932 cm^3
• Polarizability: 28.266497 Å^3
• Polar Surface Area: 53.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.154

Product Information

• Purity: 95%